(3R)-6-phenylmethoxyhex-1-en-3-ol

C13H18O2 — CID 23649849

IUPAC(3R)-6-phenylmethoxyhex-1-en-3-ol
SMILESC=C[C@H](O)CCCOCc1ccccc1
InChIInChI=1S/C13H18O2/c1-2-13(14)9-6-10-15-11-12-7-4-3-5-8-12/h2-5,7-8,13-14H,1,6,9-11H2/t13-/m0/s1
InChIKeyHMPNYJBASMRXRZ-ZDUSSCGKSA-N
MW206.28 g/mol
LogP2.53
Rot. Bonds7

About (3R)-6-phenylmethoxyhex-1-en-3-ol

(3R)-6-phenylmethoxyhex-1-en-3-ol (PubChem CID 23649849) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is (3R)-6-phenylmethoxyhex-1-en-3-ol.

Molecular Properties

Compound Name(3R)-6-phenylmethoxyhex-1-en-3-ol
PubChem CID23649849
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name(3R)-6-phenylmethoxyhex-1-en-3-ol
SMILESC=C[C@H](O)CCCOCc1ccccc1
InChIInChI=1S/C13H18O2/c1-2-13(14)9-6-10-15-11-12-7-4-3-5-8-12/h2-5,7-8,13-14H,1,6,9-11H2/t13-/m0/s1
InChIKeyHMPNYJBASMRXRZ-ZDUSSCGKSA-N
XLogP2.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3R)-6-[(4-methoxyphenyl)methoxy]hex-1-en-3-ol
CID 24864257
(4S)-1-phenylmethoxynon-8-en-4-ol
CID 71377063
1-phenyl-4-phenylmethoxybutan-1-ol
CID 101407523
1-fluoro-5-phenylmethoxypentan-2-ol
CID 14003295
(2S)-5-phenylmethoxypentane-1,2-diol
CID 11106627
(4R,5S)-4-ethenyl-1,10-bis(phenylmethoxy)dec-6-yn-5-ol
CID 23253490
1,13-bis(phenylmethoxy)tridecan-7-ol
CID 153372660
4-hydroxy-3-methyl-7-phenylmethoxyheptan-2-one
CID 18338993
2-hydroxy-4-phenylmethoxybutanal
CID 130035859
(2R)-6-phenylmethoxyhexan-2-ol
CID 50901799
(4S)-6-methyl-1-phenylmethoxyheptan-4-ol
CID 11322322
(3R)-1-phenylmethoxyhept-6-en-3-ol
CID 59371366

Frequently Asked Questions

What is the IUPAC name of (3R)-6-phenylmethoxyhex-1-en-3-ol?
The IUPAC name of (3R)-6-phenylmethoxyhex-1-en-3-ol (CID 23649849) is (3R)-6-phenylmethoxyhex-1-en-3-ol.
What is the SMILES notation for (3R)-6-phenylmethoxyhex-1-en-3-ol?
The canonical SMILES for (3R)-6-phenylmethoxyhex-1-en-3-ol is C=C[C@H](O)CCCOCc1ccccc1.
What is the InChIKey of (3R)-6-phenylmethoxyhex-1-en-3-ol?
The InChIKey is HMPNYJBASMRXRZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H18O2/c1-2-13(14)9-6-10-15-11-12-7-4-3-5-8-12/h2-5,7-8,13-14H,1,6,9-11H2/t13-/m0/s1.
What are the key properties of (3R)-6-phenylmethoxyhex-1-en-3-ol?
(3R)-6-phenylmethoxyhex-1-en-3-ol has a molecular weight of 206.28 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-phenylmethoxyhex-1-en-3-ol is sourced from PubChem (CID 23649849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).